N-cyclohexyl-N'-[(1S)-1-(furan-2-yl)-2-(2-methoxyethylamino)-2-oxoethyl]-N'-propan-2-yloxamide

C20H31N3O5 — CID 7406773

IUPACN-cyclohexyl-N'-[(1S)-1-(furan-2-yl)-2-(2-methoxyethylamino)-2-oxoethyl]-N'-propan-2-yloxamide
SMILESCOCCNC(=O)[C@H](c1ccco1)N(C(=O)C(=O)NC1CCCCC1)C(C)C
InChIInChI=1S/C20H31N3O5/c1-14(2)23(20(26)19(25)22-15-8-5-4-6-9-15)17(16-10-7-12-28-16)18(24)21-11-13-27-3/h7,10,12,14-15,17H,4-6,8-9,11,13H2,1-3H3,(H,21,24)(H,22,25)/t17-/m0/s1
InChIKeyAVFCSJLMHKITNK-KRWDZBQOSA-N
MW393.48 g/mol
LogP1.77
Rot. Bonds8

About N-cyclohexyl-N'-[(1S)-1-(furan-2-yl)-2-(2-methoxyethylamino)-2-oxoethyl]-N'-propan-2-yloxamide

N-cyclohexyl-N'-[(1S)-1-(furan-2-yl)-2-(2-methoxyethylamino)-2-oxoethyl]-N'-propan-2-yloxamide (PubChem CID 7406773) has the molecular formula C20H31N3O5 and a molecular weight of 393.48 g/mol. Its IUPAC name is N-cyclohexyl-N'-[(1S)-1-(furan-2-yl)-2-(2-methoxyethylamino)-2-oxoethyl]-N'-propan-2-yloxamide.

Molecular Properties

Compound NameN-cyclohexyl-N'-[(1S)-1-(furan-2-yl)-2-(2-methoxyethylamino)-2-oxoethyl]-N'-propan-2-yloxamide
PubChem CID7406773
Molecular FormulaC20H31N3O5
Molecular Weight393.48 g/mol
Exact Mass393.23
IUPAC NameN-cyclohexyl-N'-[(1S)-1-(furan-2-yl)-2-(2-methoxyethylamino)-2-oxoethyl]-N'-propan-2-yloxamide
SMILESCOCCNC(=O)[C@H](c1ccco1)N(C(=O)C(=O)NC1CCCCC1)C(C)C
InChIInChI=1S/C20H31N3O5/c1-14(2)23(20(26)19(25)22-15-8-5-4-6-9-15)17(16-10-7-12-28-16)18(24)21-11-13-27-3/h7,10,12,14-15,17H,4-6,8-9,11,13H2,1-3H3,(H,21,24)(H,22,25)/t17-/m0/s1
InChIKeyAVFCSJLMHKITNK-KRWDZBQOSA-N
XLogP1.77
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyl-N'-(4-fluorophenyl)-N'-[(1R)-1-(furan-2-yl)-2-(2-methoxyethylamino)-2-oxoethyl]oxamide
CID 25412483
N-cyclohexyl-N'-[(1S)-2-(furan-2-ylmethylamino)-1-(4-methylphenyl)-2-oxoethyl]-N'-propan-2-yloxamide
CID 25412970
N'-cyclopentyl-N-(2,3-dimethylphenyl)-N'-[1-(furan-2-yl)-2-(2-methoxyethylamino)-2-oxoethyl]oxamide
CID 3220053
N-[2-(N-[(1S)-2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-4-methoxyanilino)-2-oxoethyl]furan-2-carboxamide
CID 40624646
N-cyclohexyl-N'-[(1S)-1-(furan-2-yl)-2-(furan-2-ylmethylamino)-2-oxoethyl]-N'-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 25412922
N-cyclohexyl-N'-[1-(furan-2-yl)-2-(furan-2-ylmethylamino)-2-oxoethyl]-N'-(oxolan-2-ylmethyl)oxamide
CID 3220018
N-cyclohexyl-N'-[(1S)-1-(4-methoxyphenyl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-N'-propan-2-yloxamide
CID 25412994
N-[2-[[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-(3-methylbutyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 3210986
N-[2-(N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-2-methoxyanilino)-2-oxoethyl]furan-2-carboxamide
CID 3211377
N-[(1S)-2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(3,5-dimethoxyphenyl)furan-2-carboxamide
CID 1441925
N'-cyclopentyl-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]oxamide
CID 18589097
N'-cyclopentyl-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]oxamide
CID 41454031

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N'-[(1S)-1-(furan-2-yl)-2-(2-methoxyethylamino)-2-oxoethyl]-N'-propan-2-yloxamide?
The IUPAC name of N-cyclohexyl-N'-[(1S)-1-(furan-2-yl)-2-(2-methoxyethylamino)-2-oxoethyl]-N'-propan-2-yloxamide (CID 7406773) is N-cyclohexyl-N'-[(1S)-1-(furan-2-yl)-2-(2-methoxyethylamino)-2-oxoethyl]-N'-propan-2-yloxamide.
What is the SMILES notation for N-cyclohexyl-N'-[(1S)-1-(furan-2-yl)-2-(2-methoxyethylamino)-2-oxoethyl]-N'-propan-2-yloxamide?
The canonical SMILES for N-cyclohexyl-N'-[(1S)-1-(furan-2-yl)-2-(2-methoxyethylamino)-2-oxoethyl]-N'-propan-2-yloxamide is COCCNC(=O)[C@H](c1ccco1)N(C(=O)C(=O)NC1CCCCC1)C(C)C.
What is the InChIKey of N-cyclohexyl-N'-[(1S)-1-(furan-2-yl)-2-(2-methoxyethylamino)-2-oxoethyl]-N'-propan-2-yloxamide?
The InChIKey is AVFCSJLMHKITNK-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H31N3O5/c1-14(2)23(20(26)19(25)22-15-8-5-4-6-9-15)17(16-10-7-12-28-16)18(24)21-11-13-27-3/h7,10,12,14-15,17H,4-6,8-9,11,13H2,1-3H3,(H,21,24)(H,22,25)/t17-/m0/s1.
What are the key properties of N-cyclohexyl-N'-[(1S)-1-(furan-2-yl)-2-(2-methoxyethylamino)-2-oxoethyl]-N'-propan-2-yloxamide?
N-cyclohexyl-N'-[(1S)-1-(furan-2-yl)-2-(2-methoxyethylamino)-2-oxoethyl]-N'-propan-2-yloxamide has a molecular weight of 393.48 g/mol, XLogP of 1.77, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N'-[(1S)-1-(furan-2-yl)-2-(2-methoxyethylamino)-2-oxoethyl]-N'-propan-2-yloxamide is sourced from PubChem (CID 7406773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).